{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.399506 0.79949 0.5 ] [ 0.100494 0.70051 0 ] [ 0.20051 0.399506 0.5 ] [ 0.79949 0.600494 0.5 ] [ 0.899506 0.29949 0 ] [ 0.600494 0.20051 0.5 ] [ 0.70051 0.899506 0 ] [ 0.29949 0.100494 0 ] [ 0.295335 0.601728 0.744504 ] [ 0.295335 0.601728 0.255496 ] [ 0.101728 0.204665 0.755496 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.204665 0.898272 0.244504 ] [ 0.204665 0.898272 0.755496 ] [ 0.101728 0.204665 0.244504 ] [ 0.898272 0.795335 0.244504 ] [ 0.898272 0.795335 0.755496 ] [ 0.795335 0.101728 0.244504 ] [ 0.795335 0.101728 0.755496 ] [ 0.601728 0.704665 0.255496 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.704665 0.398272 0.744504 ] [ 0.704665 0.398272 0.255496 ] [ 0.601728 0.704665 0.744504 ] [ 0.398272 0.295335 0.744504 ] [ 0.398272 0.295335 0.255496 ] ] } "species" { "source-value" [ "La" "La" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.9264636 "source-unit" "angstrom" } "c" { "source-value" 5.64403786 "source-unit" "angstrom" } }